methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate

C24H23FO5 — CID 123316042

IUPACmethyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OCC(C)C)cc2F)co1
InChIInChI=1S/C24H23FO5/c1-15(2)13-30-23(26)20-7-5-4-6-19(20)17-8-9-18(21(25)12-17)10-16-11-22(29-14-16)24(27)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyBKYBXSSLVDGIPI-UHFFFAOYSA-N
MW410.44 g/mol
LogP5.28
Rot. Bonds7

About methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate

methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate (PubChem CID 123316042) has the molecular formula C24H23FO5 and a molecular weight of 410.44 g/mol. Its IUPAC name is methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate
PubChem CID123316042
Molecular FormulaC24H23FO5
Molecular Weight410.44 g/mol
Exact Mass410.15
IUPAC Namemethyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate
SMILESCOC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OCC(C)C)cc2F)co1
InChIInChI=1S/C24H23FO5/c1-15(2)13-30-23(26)20-7-5-4-6-19(20)17-8-9-18(21(25)12-17)10-16-11-22(29-14-16)24(27)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3
InChIKeyBKYBXSSLVDGIPI-UHFFFAOYSA-N
XLogP5.28
TPSA65.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.44
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate with MolForge

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Related Compounds

Phenethyl 2-furoate
CID 251531
Benzoic acid, 4-(5-formyl-2-furanyl)-, ethyl ester
CID 608139
Ethyl 5-[(4-isopropylphenoxy)methyl]-2-furoate
CID 892210
Methyl 5-((4-benzoylphenoxy)methyl)furan-2-carboxylate
CID 4378040
AMPK Activator
CID 16760291
(S)-2-Ethoxy-3-{4-[(E)-3-(4-furan-2-yl-phenyl)-3-phenyl-allyloxy]-phenyl}-propionic acid
CID 44321284
(S)-2-Ethoxy-3-{4-[(Z)-3-(4-furan-2-yl-phenyl)-3-phenyl-allyloxy]-phenyl}-propionic acid
CID 44321462
Biphenyl-4-yl 2-furoate
CID 262304
Methyl 2-(5-formylfuran-2-yl)benzoate
CID 763803
Furan-2-carboxylic acid 2-(4-fluoro-phenyl)-2-oxo-ethyl ester
CID 782038
2-(3,4-Dimethylphenyl)-2-oxoethyl 2-furoate
CID 882227
2-(2,5-Dimethylphenyl)-2-oxoethyl 5-bromofuran-2-carboxylate
CID 882316

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate?
The IUPAC name of methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate (CID 123316042) is methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate.
What is the SMILES notation for methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate?
The canonical SMILES for methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate is COC(=O)c1cc(Cc2ccc(-c3ccccc3C(=O)OCC(C)C)cc2F)co1.
What is the InChIKey of methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate?
The InChIKey is BKYBXSSLVDGIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FO5/c1-15(2)13-30-23(26)20-7-5-4-6-19(20)17-8-9-18(21(25)12-17)10-16-11-22(29-14-16)24(27)28-3/h4-9,11-12,14-15H,10,13H2,1-3H3.
What are the key properties of methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate?
methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate has a molecular weight of 410.44 g/mol, XLogP of 5.28, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[2-fluoro-4-[2-(2-methylpropoxycarbonyl)phenyl]phenyl]methyl]furan-2-carboxylate is sourced from PubChem (CID 123316042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).